run xtriage, it will compute numbers for you and give twin laws. P p.s. 2.0 indicates no twinning, or twinning with a load of other problems ;-) 2008/5/21 Francis E Reyes :

Thanks Peter

I was hoping for testing for perfect merohedral twins. I tried the Yeats server http://nihserver.mbi.ucla.edu/Twinning/ and my / <I>^2 statistics > 2.0 (max is 2.1) . Is that interpreted as untwinned then?

Thanks

FR

On May 21, 2008, at 10:50 AM, Peter Zwart wrote:

...

Try donwloading CCI_APPS. This should be fixed in that release.

(your cell and sg has no twin laws though, so you will just get a normal map out of it)

P

2008/5/21 Francis E Reyes :

...

chem171-152-dhcp:exptl_fobs_phases_freeR_flags.mtz francisreyes$ phenix.twin_map_utils xray_data.file=exptl_fobs_phases_freeR_flags.mtz model=MR.1_pdbset1_refine_007.pdb unit_cell=73.5,73.5,114,90,90,90 space_group="P 41 21 2"

twin_utils { input { unit_cell = 73.5 73.5 114 90 90 90 space_group = "P 41 21 2" xray_data { file_name = "exptl_fobs_phases_freeR_flags.mtz" obs_labels = None free_flag = None } model { file_name = "MR.1_pdbset1_refine_007.pdb" } } parameters { twinning { twin_law = None max_delta = 3 } } output { logfile = "twin_tools.log" map_coeffs_root = "MAP_COEFFS" obs_and_calc = "obs_and_calc.mtz" } } Traceback (most recent call last): File "/usr/local/phenix-1.3b-rc5/mmtbx/mmtbx/command_line/ twin_map_utils.py", line 7, in <module> twin_map_utils.run(args=sys.argv[1:]) File "/usr/local/phenix-1.3b-rc5/mmtbx/mmtbx/twinning/ twin_map_utils.py", line 256, in run tmp_params = utils.r_free_flags_params.extract() AttributeError: 'module' object has no attribute 'r_free_flags_params'

Any ideas?

Thanks

FR

--------------------------------------------- Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder

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